1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol

C14H13N3OS — CID 105128666

IUPAC1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H13N3OS/c18-14(8-11-6-7-19-10-11)13-9-15-16-17(13)12-4-2-1-3-5-12/h1-7,9-10,14,18H,8H2
InChIKeyNMOQWTSDYUMYHN-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol

1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol (PubChem CID 105128666) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol
PubChem CID105128666
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol
SMILESOC(Cc1ccsc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H13N3OS/c18-14(8-11-6-7-19-10-11)13-9-15-16-17(13)12-4-2-1-3-5-12/h1-7,9-10,14,18H,8H2
InChIKeyNMOQWTSDYUMYHN-UHFFFAOYSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-{1-[(3-methyl-2-thienyl)methyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)(phenyl)methanol
CID 45222910
[1-[3-Butyl-5-(trifluoromethyl)thiophen-2-yl]triazol-4-yl]methanol
CID 130321114
4-[4-[(S)-hydroxy(thiophen-2-yl)methyl]triazol-1-yl]benzonitrile
CID 155935486
phenyl{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanol
CID 45225481
[2-(4-Thiophen-3-yltriazol-1-yl)phenyl]methanol
CID 175169456
[2-(4-Thiophen-2-yltriazol-1-yl)phenyl]methanol
CID 175169521
(S)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
CID 31074696
(R)-[1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-phenylmethanol
CID 31074699
[1-(1-Benzothiophen-3-ylmethyl)triazol-4-yl]methanol
CID 63737092
1-(1-Phenylpyrazol-4-yl)-2-thiophen-3-ylethanol
CID 65150532
[1-(1-Benzothiophen-5-yl)triazol-4-yl]methanol
CID 65475726
2-[1-(1-Benzothiophen-5-yl)triazol-4-yl]ethanol
CID 65475727

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol (CID 105128666) is 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol is OC(Cc1ccsc1)c1cnnn1-c1ccccc1.
What is the InChIKey of 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol?
The InChIKey is NMOQWTSDYUMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-14(8-11-6-7-19-10-11)13-9-15-16-17(13)12-4-2-1-3-5-12/h1-7,9-10,14,18H,8H2.
What are the key properties of 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol?
1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol has a molecular weight of 271.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyltriazol-4-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 105128666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).